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Enhancing heteroatoms in RMG-Py#1039

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alongd wants to merge 9 commits intomasterReactionMechanismGenerator/RMG-Py:masterfrom sulfurReactionMechanismGenerator/RMG-Py:sulfurCopy head branch name to clipboard

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Commits on Jun 28, 2017

• Temporarily changed .travis.yml to point to sulfur branch

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  e6d8746

• Updated SAtomTypes

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• Changed Ss and Sd to S2s and S2d

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  c1e2d87

• Added sulfur atomTypeTests, reorginized nitrogen tests as well

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  373e73c

• Commenting out S from atomtypedatabase.py

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  fde523b

• Allow database-test to make sample atoms using nitrogen atomTypes

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  10f1ec3

• Added a raise DatabaseError to thermo.py

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  8a027f6

• Adds resonance for radicals adjacent to sulfur lone pairs

  

  rgillis8

  authored and

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  80e613a

• Added a docstring describing the atomType naming convention

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